4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;4-[7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-4-ium-1-yl)methanone;3,3-dimethyl-1-(1H-pyrazol-4-yl)piperidine;chloride

C91H96Cl3F5N14O11 — CID 161371644

About 4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;4-[7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-4-ium-1-yl)methanone;3,3-dimethyl-1-(1H-pyrazol-4-yl)piperidine;chloride

4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;4-[7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-4-ium-1-yl)methanone;3,3-dimethyl-1-(1H-pyrazol-4-yl)piperidine;chloride (PubChem CID 161371644) has the molecular formula C91H96Cl3F5N14O11 and a molecular weight of 1763.20 g/mol. Its IUPAC name is 4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;4-[7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-4-ium-1-yl)methanone;3,3-dimethyl-1-(1H-pyrazol-4-yl)piperidine;chloride.

Molecular Properties

• Compound Name: 4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;4-[7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-4-ium-1-yl)methanone;3,3-dimethyl-1-(1H-pyrazol-4-yl)piperidine;chloride
• PubChem CID: 161371644
• Molecular Formula: C91H96Cl3F5N14O11
• Molecular Weight: 1763.20 g/mol
• Exact Mass: 1760.64
• IUPAC Name: 4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;4-[7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-4-ium-1-yl)methanone;3,3-dimethyl-1-(1H-pyrazol-4-yl)piperidine;chloride
• SMILES: CC(C)(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)O)oc12.CC(C)(C)c1cc(Cl)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12.CC1(C)C(=O)NCCN1C(=O)c1cc2nc(-c3ccc(F)cc3)cc(Cl)c2o1.CC1(C)CCCN(c2cn[nH]c2)C1.[C-]#[N+]C1(c2cc(-c3ccc(F)cc3)nc3cc(C(=O)N4CC[NH2+]CC4(C)C)oc23)CC(F)(F)C1.[Cl-]
• InChI: InChI=1S/C25H23F3N4O2.C20H17ClFN3O3.C18H22ClN3O3.C18H16FNO3.C10H17N3.ClH/c1-23(2)14-30-8-9-32(23)22(33)20-11-19-21(34-20)17(24(29-3)12-25(27,28)13-24)10-18(31-19)15-4-6-16(26)7-5-15;1-20(2)19(27)23-7-8-25(20)18(26)16-10-15-17(28-16)13(21)9-14(24-15)11-3-5-12(22)6-4-11;1-17(2,3)10-8-13(19)21-11-9-12(25-14(10)11)15(23)22-7-6-20-16(24)18(22,4)5;1-18(2,3)12-8-13(10-4-6-11(19)7-5-10)20-14-9-15(17(21)22)23-16(12)14;1-10(2)4-3-5-13(8-10)9-6-11-12-7-9;/h4-7,10-11,30H,8-9,12-14H2,1-2H3;3-6,9-10H,7-8H2,1-2H3,(H,23,27);8-9H,6-7H2,1-5H3,(H,20,24);4-9H,1-3H3,(H,21,22);6-7H,3-5,8H2,1-2H3,(H,11,12);1H
• InChIKey: OUEUUFJVPZQYQJ-UHFFFAOYSA-N
• XLogP: 14.41
• TPSA: 313.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1763.20
LogP ≤ 5	14.41
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;4-[7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-4-ium-1-yl)methanone;3,3-dimethyl-1-(1H-pyrazol-4-yl)piperidine;chloride?

The IUPAC name of 4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;4-[7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-4-ium-1-yl)methanone;3,3-dimethyl-1-(1H-pyrazol-4-yl)piperidine;chloride (CID 161371644) is 4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;4-[7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-4-ium-1-yl)methanone;3,3-dimethyl-1-(1H-pyrazol-4-yl)piperidine;chloride.

What is the SMILES notation for 4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;4-[7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-4-ium-1-yl)methanone;3,3-dimethyl-1-(1H-pyrazol-4-yl)piperidine;chloride?

The canonical SMILES for 4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;4-[7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-4-ium-1-yl)methanone;3,3-dimethyl-1-(1H-pyrazol-4-yl)piperidine;chloride is CC(C)(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)O)oc12.CC(C)(C)c1cc(Cl)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12.CC1(C)C(=O)NCCN1C(=O)c1cc2nc(-c3ccc(F)cc3)cc(Cl)c2o1.CC1(C)CCCN(c2cn[nH]c2)C1.[C-]#[N+]C1(c2cc(-c3ccc(F)cc3)nc3cc(C(=O)N4CC[NH2+]CC4(C)C)oc23)CC(F)(F)C1.[Cl-].

What is the InChIKey of 4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;4-[7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-4-ium-1-yl)methanone;3,3-dimethyl-1-(1H-pyrazol-4-yl)piperidine;chloride?

The InChIKey is OUEUUFJVPZQYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O2.C20H17ClFN3O3.C18H22ClN3O3.C18H16FNO3.C10H17N3.ClH/c1-23(2)14-30-8-9-32(23)22(33)20-11-19-21(34-20)17(24(29-3)12-25(27,28)13-24)10-18(31-19)15-4-6-16(26)7-5-15;1-20(2)19(27)23-7-8-25(20)18(26)16-10-15-17(28-16)13(21)9-14(24-15)11-3-5-12(22)6-4-11;1-17(2,3)10-8-13(19)21-11-9-12(25-14(10)11)15(23)22-7-6-20-16(24)18(22,4)5;1-18(2,3)12-8-13(10-4-6-11(19)7-5-10)20-14-9-15(17(21)22)23-16(12)14;1-10(2)4-3-5-13(8-10)9-6-11-12-7-9;/h4-7,10-11,30H,8-9,12-14H2,1-2H3;3-6,9-10H,7-8H2,1-2H3,(H,23,27);8-9H,6-7H2,1-5H3,(H,20,24);4-9H,1-3H3,(H,21,22);6-7H,3-5,8H2,1-2H3,(H,11,12);1H.

What are the key properties of 4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;4-[7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-4-ium-1-yl)methanone;3,3-dimethyl-1-(1H-pyrazol-4-yl)piperidine;chloride?

4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;4-[7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-4-ium-1-yl)methanone;3,3-dimethyl-1-(1H-pyrazol-4-yl)piperidine;chloride has a molecular weight of 1763.20 g/mol, XLogP of 14.41, 9 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;4-[7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-4-ium-1-yl)methanone;3,3-dimethyl-1-(1H-pyrazol-4-yl)piperidine;chloride is sourced from PubChem (CID 161371644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).